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Patent code US8536166

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM102445
PNG
(US8536166, II-12)
Show SMILES Cn1cc(nc(Nc2ccc(cc2)C(=O)N2CCC(O)CC2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C36H37N5O5/c1-39-20-31(38-33(36(39)46)37-26-10-7-23(8-11-26)34(44)40-16-14-27(43)15-17-40)29-3-2-4-32(30(29)21-42)41-18-13-25-19-24(22-5-6-22)9-12-28(25)35(41)45/h2-4,7-12,19-20,22,27,42-43H,5-6,13-18,21H2,1H3,(H,37,38)
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US Patent
n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Sr...

US Patent US8536166 (2013)


BindingDB Entry DOI: 10.7270/Q2GT5KSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM102444
PNG
(US8536166, II-11)
Show SMILES Cn1cc(nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c1=O)-c1cccc(N2CCc3cc(ccc3C2=O)C2(F)CC2)c1CO
Show InChI InChI=1S/C35H34FN5O5/c1-39-20-29(38-31(34(39)45)37-25-8-5-22(6-9-25)32(43)40-15-17-46-18-16-40)27-3-2-4-30(28(27)21-42)41-14-11-23-19-24(35(36)12-13-35)7-10-26(23)33(41)44/h2-10,19-20,42H,11-18,21H2,1H3,(H,37,38)
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US Patent
n/an/a 10n/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Sr...

US Patent US8536166 (2013)


BindingDB Entry DOI: 10.7270/Q2GT5KSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM102443
PNG
(US8536166, II-6)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)cc1
Show InChI InChI=1S/C33H33N5O4/c1-36(2)31(40)21-9-12-24(13-10-21)34-30-33(42)37(3)18-28(35-30)26-5-4-6-29(27(26)19-39)38-16-15-23-17-22(20-7-8-20)11-14-25(23)32(38)41/h4-6,9-14,17-18,20,39H,7-8,15-16,19H2,1-3H3,(H,34,35)
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US Patent
n/an/a 15n/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Sr...

US Patent US8536166 (2013)


BindingDB Entry DOI: 10.7270/Q2GT5KSG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM102442
PNG
(US8536166, II-5)
Show SMILES Cn1cc(Nc2nc(cn(C)c2=O)-c2cccc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)cn1
Show InChI InChI=1S/C28H28N6O3/c1-32-15-24(31-26(28(32)37)30-20-13-29-33(2)14-20)22-4-3-5-25(23(22)16-35)34-11-10-19-12-18(17-6-7-17)8-9-21(19)27(34)36/h3-5,8-9,12-15,17,35H,6-7,10-11,16H2,1-2H3,(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



Roche Palo Alto LLC

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Sr...

US Patent US8536166 (2013)


BindingDB Entry DOI: 10.7270/Q2GT5KSG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%